input word = C00012189

Metabolite InformationStructural formula
Name Caudatol
Formula C25H32O9
Mw 476.20463262
CAS RN 130930-54-0
C_ID C00012189 ,
InChIKey YOGPJYWETDSFNM-JLZNZXTANA-N
InChICode InChI=1S/C25H32O9/c1-14-6-5-7-15(2)11-21(22-17(4)24(30)33-20(22)10-14)34-25(31)18(8-9-26)13-32-23(29)16(3)19(28)12-27/h7-8,10,19-22,26-28H,3-6,9,11-13H2,1-2H3/b14-10+,15-7-,18-8+/t19-,20+,21-,22-/m0/s1
SMILES C\1(=C\CC/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)/C(=C/CO)/COC(=O)C(=C)[C@@H](O)CO)C(=C)C(=O)O2)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePericome caudata Ref.
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OrganismPericome caudata
ReferenceJolad,Phytochem.,29,(1990),3024